2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane

C11H21N — CID 178085129

IUPAC2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane
SMILESCCN1C2CCC(C(C)C2)C1C
InChIInChI=1S/C11H21N/c1-4-12-9(3)11-6-5-10(12)7-8(11)2/h8-11H,4-7H2,1-3H3
InChIKeyXZFLRCMSYZXZQH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds1

About 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane

2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane (PubChem CID 178085129) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane
PubChem CID178085129
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane
SMILESCCN1C2CCC(C(C)C2)C1C
InChIInChI=1S/C11H21N/c1-4-12-9(3)11-6-5-10(12)7-8(11)2/h8-11H,4-7H2,1-3H3
InChIKeyXZFLRCMSYZXZQH-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
CID 90937023
(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337296
7-ethyl-N-methyl-7-azabicyclo[2.2.1]heptan-2-amine
CID 171831735
4-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)morpholine
CID 71229178
(1-ethyl-4,5-dimethylpyrrolidin-2-yl)methanol
CID 58067546
(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate
CID 14762754
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 169243186
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine
CID 157060694
4-ethyl-9-methyltricyclo[6.2.0.02,5]decane
CID 123785959
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176985470
8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane (CID 178085129) is 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane is CCN1C2CCC(C(C)C2)C1C.
What is the InChIKey of 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane?
The InChIKey is XZFLRCMSYZXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-12-9(3)11-6-5-10(12)7-8(11)2/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane?
2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 178085129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).